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Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol

The title compound C(20)H(20)O(4)S, is polymorphic. In the tetra­gonal form, the mol­ecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) mol­ecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 1...

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Autores principales: Gibson, Jerrell G., Cho, Jung Young, Fronczek, Frank R., Watkins, Steven F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435692/
https://www.ncbi.nlm.nih.gov/pubmed/22969563
http://dx.doi.org/10.1107/S1600536812034514
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author Gibson, Jerrell G.
Cho, Jung Young
Fronczek, Frank R.
Watkins, Steven F.
author_facet Gibson, Jerrell G.
Cho, Jung Young
Fronczek, Frank R.
Watkins, Steven F.
author_sort Gibson, Jerrell G.
collection PubMed
description The title compound C(20)H(20)O(4)S, is polymorphic. In the tetra­gonal form, the mol­ecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) mol­ecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetra­gonal) positions. There are only minor differences in the three-ring nucleus; the best mol­ecular fit of the tetra­gonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration.
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spelling pubmed-34356922012-09-11 Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol Gibson, Jerrell G. Cho, Jung Young Fronczek, Frank R. Watkins, Steven F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound C(20)H(20)O(4)S, is polymorphic. In the tetra­gonal form, the mol­ecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) mol­ecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetra­gonal) positions. There are only minor differences in the three-ring nucleus; the best mol­ecular fit of the tetra­gonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435692/ /pubmed/22969563 http://dx.doi.org/10.1107/S1600536812034514 Text en © Gibson et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gibson, Jerrell G.
Cho, Jung Young
Fronczek, Frank R.
Watkins, Steven F.
Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title_full Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title_fullStr Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title_full_unstemmed Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title_short Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol
title_sort monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-o-[(r)-phenyl­methyl­ene]-l-iditol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435692/
https://www.ncbi.nlm.nih.gov/pubmed/22969563
http://dx.doi.org/10.1107/S1600536812034514
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